N-(1-azabicyclo[2.2.2]octan-3-yl)-7-oxidanyl-naphthalene-2-carboxamide; (E)-but-2-enedioic acid

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-7-oxidanyl-naphthalene-2-carboxamide; (E)-but-2-enedioic acid Openeye Name: fumaric acid; 7-hydroxy-N-quinuclidin-3-yl-naphthalene-2-carboxamide CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-7-hydroxy-2-naphthalenecarboxamide; (E)-2-butenedioic acid IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-7-hydroxynaphthalene-2-carboxamide; (E)-but-2-enedioic acid Traditional Name: fumaric acid; 7-hydroxy-N-quinuclidin-3-yl-2-naphthamide Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC(=O)C3=CC4=C(C=C3)C=CC(=C4)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN2CCC1C(C2)NC(=O)C3=CC4=C(C=C3)C=CC(=C4)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H20N2O2.C4H4O4/c21-16-4-3-12-1-2-14(9-15(12)10-16)18(22)19-17-11-20-7-5-13(17)6-8-20;5-3(6)1-2-4(7)8/h1-4,9-10,13,17,21H,5-8,11H2,(H,19,22);1-2H,(H,5,6)(H,7,8)/b;2-1+